5-Methyl-1,3-dihydro-2H-benzimidazole-2-thione

Basic Information

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CAS Number

27231-36-3

Molecular Formula

C8H8N2S

Molecular Weight

164.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

290-293 ºC

Boiling Point

282.5 °C at 760 mmHg

Water Solubility

Insoluble in water.

Flash Point

124.6 °C

Refractive Index

1.5700 (estimate)

Vapor Pressure

0.0±0.8 mmHg at 25°C

SMILES

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CC1=CC2=C(C=C1)NC(=S)N2

InChI

InChI=1S/C8H8N2S/c1-5-2-3-6-7(4-5)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11)

InChIKey

CWIYBOJLSWJGKV-UHFFFAOYSA-N

LogP

2.5339099999999997

Topological Polar Surface Area

31.58 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

181

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

EINECS 248-350-5
EN300-18181
DTXSID70946421
AS-65387
NSC-231400
2-Benzimidazolinethione, 5-methyl-
2-Mercapto-5-methylbenzimidazole, 99%
NSC231400
BB 0242025
5-methyl-benzimidazoline-2-thione
2H-Benzimidazole-2-thione, 1,3-dihydro-5-methyl-
InChI=1/C8H8N2S/c1-5-2-3-6-7(4-5)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11
Z57298378
?2-Mercapto-5-methylbenzimidazole
UNII-8FTF5X7GCW
mercapto-5-methylbenzimidazole
M1357
2-mercapto-5-methyl-benzimidazole
NSC 231400
2-Mercapto-5-methyl benzimidazole
FT-0612748
5-Methyl-1,3-dihydro-2H-benzo[d]imidazole-2-thione
8FTF5X7GCW
5-methyl-1,3-dihydrobenzimidazole-2-thione
SCHEMBL229607
F1791-0318
5-methylbenzimidazoline-2-thione
2360-37-4
AKOS000442052
1,3-Dihydro-5-methyl-2H-benzimidazole-2-thione
AKOS000119572

MDL Number

MFCD00010617

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 5-Methyl-1,3-dihydro-2H-benzimidazole-2-thione (CAS: 27231-36-3)?

5-Methyl-1,3-dihydro-2H-benzimidazole-2-thione (CAS: 27231-36-3) is a white crystalline solid with a molecular weight of approximately 216.27 g/mol. It has a solubility of about 0.1 g/100 mL in water. The compound is relatively stable under normal conditions but can react with strong acids to form thiohydroxamic acid. It is a versatile compound with potential applications in pharmaceuticals and sensors.

How is 5-Methyl-1,3-dihydro-2H-benzimidazole-2-thione (CAS: 27231-36-3) typically synthesized?

5-Methyl-1,3-dihydro-2H-benzimidazole-2-thione can be synthesized through the reaction of methyl isothiocyanate with 1,3-dihydro-2H-benzimidazole. This process typically involves the use of a catalyst and is carried out at room temperature. The yield is around 85%, and the product is usually isolated by recrystallization from water or ethanol.

What industries use 5-Methyl-1,3-dihydro-2H-benzimidazole-2-thione (CAS: 27231-36-3)?

5-Methyl-1,3-dihydro-2H-benzimidazole-2-thione (CAS: 27231-36-3) is used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the sensor industry, particularly in the detection of heavy metals and other environmental pollutants. The compound is less common in other industries but is used in some research and development settings.

What precautions should be taken when handling 5-Methyl-1,3-dihydro-2H-benzimidazole-2-thione (CAS: 27231-36-3)?

When handling 5-Methyl-1,3-dihydro-2H-benzimidazole-2-thione (CAS: 27231-36-3), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to avoid inhalation. In case of a spill, the area should be flushed with water, and the material should be collected using appropriate disposal methods. Always refer to the Safety Data Sheet (SDS) for specific handling instructions.